4-[[(3-methylphenyl)carbamothioyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[(3-methylphenyl)carbamothioyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[m-tolylcarbamothioyl(o-tolylmethyl)amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[(3-methylanilino)-sulfanylidenemethyl]-[(2-methylphenyl)methyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[(3-methylphenyl)carbamothioyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(2-methylbenzyl)-(m-tolylthiocarbamoyl)amino]methyl]cyclohexanecarboxylate Formula: C24H29N2O2S- MolecularWeight: 409.56426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N(CC2CCC(CC2)C(=O)[O-])CC3=CC=CC=C3C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N(CC2CCC(CC2)C(=O)[O-])CC3=CC=CC=C3C

InChI

InChI=1S/C24H30N2O2S/c1-17-6-5-9-22(14-17)25-24(29)26(16-21-8-4-3-7-18(21)2)15-19-10-12-20(13-11-19)23(27)28/h3-9,14,19-20H,10-13,15-16H2,1-2H3,(H,25,29)(H,27,28)/p-1